Molecule Editor

Molecule ID: FYI-1017401 Edit

Molecule Structure InChIKey: SBHXYTNGIZCORC-CYBMUJFWSA-N

Molecule Structure SMILES String: O=C2C[C@H](c1ccc(O)c(O)c1)Oc3cc(O)cc(O)c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1017401
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 12  1  0  0  0  0
 20  4  1  0  0  0  0
 21  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017401-3D
FYIcenter.com

 33 35  0     1  0  0  0  0  0999 V2000
   -0.2554   -0.7757   -0.0252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    2.9371   -0.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3531    1.8335   -0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4887   -2.9115   -0.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4846   -0.3630   -2.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -0.5238    0.2015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207    0.3681    0.5199 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0224    1.6439   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    0.1297    0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2725    0.5947   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4684    1.8320   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199   -0.6415   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6682    0.6560   -0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5238   -0.0094   -0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6762    0.0489    1.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3665   -1.8202   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4094   -0.5262   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7603   -1.7613   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8988   -0.2296   -0.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0510   -0.1713    1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -0.3104    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1352    0.4504    1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2576    1.6046   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5231    2.5128    0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9390    0.0402   -1.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    0.1554    2.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8647   -2.7847   -0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4959   -0.4795   -0.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6340   -0.2320    2.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7415    2.5829    0.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4348   -2.6859   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4375   -0.5091   -1.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3681   -0.5501    1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 18  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  1  0  0  0  0
  5 32  1  0  0  0  0
  6 21  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 19  1  0  0  0  0
 14 25  1  0  0  0  0
 15 20  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 29  1  0  0  0  0
M  END
$$$$